4-bromo-3-(difluoromethyl)-5-(trifluoromethyl)pyridine

C7H3BrF5N — CID 118810424

IUPAC4-bromo-3-(difluoromethyl)-5-(trifluoromethyl)pyridine
SMILESFC(F)c1cncc(C(F)(F)F)c1Br
InChIInChI=1S/C7H3BrF5N/c8-5-3(6(9)10)1-14-2-4(5)7(11,12)13/h1-2,6H
InChIKeyLVWXKQOSASSFJV-UHFFFAOYSA-N
MW276.00 g/mol
LogP3.80
Rot. Bonds1

About 4-bromo-3-(difluoromethyl)-5-(trifluoromethyl)pyridine

4-bromo-3-(difluoromethyl)-5-(trifluoromethyl)pyridine (PubChem CID 118810424) has the molecular formula C7H3BrF5N and a molecular weight of 276.00 g/mol. Its IUPAC name is 4-bromo-3-(difluoromethyl)-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name4-bromo-3-(difluoromethyl)-5-(trifluoromethyl)pyridine
PubChem CID118810424
Molecular FormulaC7H3BrF5N
Molecular Weight276.00 g/mol
Exact Mass274.94
IUPAC Name4-bromo-3-(difluoromethyl)-5-(trifluoromethyl)pyridine
SMILESFC(F)c1cncc(C(F)(F)F)c1Br
InChIInChI=1S/C7H3BrF5N/c8-5-3(6(9)10)1-14-2-4(5)7(11,12)13/h1-2,6H
InChIKeyLVWXKQOSASSFJV-UHFFFAOYSA-N
XLogP3.80
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.00
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-3,5-bis(trifluoromethyl)pyridine
CID 131530790
4-bromo-3-fluoro-5-(trifluoromethyl)pyridine
CID 118839587
[3-(difluoromethyl)-5-(trifluoromethyl)-4-pyridinyl]methanol
CID 134672402
4-bromo-5-(difluoromethyl)pyridin-3-amine
CID 130094561
4-bromo-5-(difluoromethyl)pyridin-3-ol
CID 118827771
2-bromo-1-(difluoromethyl)-5-fluoro-3-(trifluoromethyl)benzene
CID 171033276
[4-bromo-5-(trifluoromethyl)-3-pyridinyl]methanol
CID 118845465
2,6-dibromo-3-(difluoromethyl)-5-(trifluoromethyl)pyridine
CID 118999254
3-chloro-4-(difluoromethyl)-5-(trifluoromethyl)pyridine
CID 130095577
4-bromo-2-(bromomethyl)-5-(difluoromethyl)-3-(trifluoromethyl)pyridine
CID 130070201
3-bromo-4-methyl-5-(trifluoromethyl)pyridine
CID 59636175
[4-bromo-5-(difluoromethyl)-2-(trifluoromethyl)-3-pyridinyl]methanamine
CID 130070007

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-(difluoromethyl)-5-(trifluoromethyl)pyridine?
The IUPAC name of 4-bromo-3-(difluoromethyl)-5-(trifluoromethyl)pyridine (CID 118810424) is 4-bromo-3-(difluoromethyl)-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 4-bromo-3-(difluoromethyl)-5-(trifluoromethyl)pyridine?
The canonical SMILES for 4-bromo-3-(difluoromethyl)-5-(trifluoromethyl)pyridine is FC(F)c1cncc(C(F)(F)F)c1Br.
What is the InChIKey of 4-bromo-3-(difluoromethyl)-5-(trifluoromethyl)pyridine?
The InChIKey is LVWXKQOSASSFJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrF5N/c8-5-3(6(9)10)1-14-2-4(5)7(11,12)13/h1-2,6H.
What are the key properties of 4-bromo-3-(difluoromethyl)-5-(trifluoromethyl)pyridine?
4-bromo-3-(difluoromethyl)-5-(trifluoromethyl)pyridine has a molecular weight of 276.00 g/mol, XLogP of 3.80, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-(difluoromethyl)-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 118810424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).